5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one
TL;DR: 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one (CAS 854032-58-9) is a chemical compound with molecular formula C16H15Cl2NO2S and molecular weight 355.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one
Also Known As: 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one
| Molecular Formula | C16H15Cl2NO2S |
|---|---|
| Molecular Weight | 355.02 g/mol |
| LogP | 2.9677 |
| Topological Polar Surface Area | 49.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.02005 |
| Heavy Atoms | 22 |
| Complexity | 867.84033 |
Chemical Identifiers
| CAS Number | 854032-58-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/1\NC(=O)/C(=C/C2=C(C=CC=C2Cl)Cl)/S1 |
Product Overview
5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one (CAS 854032-58-9), with molecular formula C16H15Cl2NO2S and molecular weight 355.02 g/mol. IUPAC: (2E,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one
Property Insights of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one
The XLogP value of 2.9677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one. With a topological polar surface area (TPSA) of 49.93 Ų, 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one?
The CAS number of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one is 854032-58-9.
What is the molecular formula of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one?
The molecular formula of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one is C16H15Cl2NO2S.
What is the molecular weight of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one?
The molecular weight of 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one is 355.02 g/mol.
Where can I buy 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one?
You can request a quote for 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,6-Dichlorobenzylidene)-2-(3,3-dimethyl-2-oxobutylidene)thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.